Stability analysis of graphene nanoribbons by molecular dynamics simulations

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Atıf İçin Kopyala

Dugan N., ERKOÇ Ş.

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, cilt.245, sa.4, ss.695-700, 2008 (SCI-Expanded)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 245 Sayı: 4
• Basım Tarihi: 2008
• Doi Numarası: 10.1002/pssb.200743461
• Dergi Adı: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.695-700
• Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

In this work, stability of graphene nanoribbons are investigated using molecular dynamics. Simulations include heating armchair and zigzag-edged nanoribbons of widths varying between one and nine hexagonal rings until the bonds between carbon atoms start to break. Breaking temperatures and binding energies per atom for different widths are presented for both armchair and zigzag-edged cases. A nontrivial relation between stability and width is observed and discussed.